4K07

Crystal structure of the amyloid-forming immunoglobulin AL-103 cis-proline 95 mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-17
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.992349
Spacegroup name	P 21 21 2
Unit cell lengths	159.910, 200.334, 40.056
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.130 - 2.830
R-factor	0.2028
Rwork	0.202
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.236
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_1263))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.130	3.048
High resolution limit [Å]	2.830	2.830
Number of reflections	31753
<I/σ(I)>	21.9
Completeness [%]	98.0	90
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	15% PEG8000, 443 mM ammonium nitrate, 100 mM sodium acetate, pH 5.5, 666 mM NDSB 201, VAPOR DIFFUSION, HANGING DROP, temperature 291K